2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine

C16H33N3O — CID 167288708

IUPAC2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESC=C(C)CN(C)CCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C16H33N3O/c1-14(2)10-17-11-16-13-19(8-9-20-16)7-6-18(5)12-15(3)4/h14,16-17H,3,6-13H2,1-2,4-5H3/t16-/m0/s1
InChIKeyPHTWXWFYEHKODG-INIZCTEOSA-N
MW283.46 g/mol
LogP1.44
Rot. Bonds9

About 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine

2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine (PubChem CID 167288708) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine
PubChem CID167288708
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESC=C(C)CN(C)CCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C16H33N3O/c1-14(2)10-17-11-16-13-19(8-9-20-16)7-6-18(5)12-15(3)4/h14,16-17H,3,6-13H2,1-2,4-5H3/t16-/m0/s1
InChIKeyPHTWXWFYEHKODG-INIZCTEOSA-N
XLogP1.44
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine (CID 167288708) is 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine is C=C(C)CN(C)CCN1CCO[C@@H](CNCC(C)C)C1.
What is the InChIKey of 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine?
The InChIKey is PHTWXWFYEHKODG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)10-17-11-16-13-19(8-9-20-16)7-6-18(5)12-15(3)4/h14,16-17H,3,6-13H2,1-2,4-5H3/t16-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-4-[2-[methyl(2-methylprop-2-enyl)amino]ethyl]morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 167288708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).